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Fenbendazole Sulfone-d3

CAT: 0572-TRC-F246793-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F246793-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1228182-49-7
Synonyms
Trideuteriomethyl N-[5-(benzenesulfonyl)-1H-benzimidazol-2-yl]carbamate
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])OC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)(=O)c3ccccc3
Molecular Formula
C15 D3 H10 N3 O4 S
Molecular Weight
334.36
InChI
InChI=1S/C15H13N3O4S/c1-22-15(19)18-14-16-12-8-7-11(9-13(12)17-14)23(20,21)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)/i1D3
Additionnal Information
IUPAC name: trideuteriomethyl N-[6-(benzenesulfonyl)-1H-benzimidazol-2-yl]carbamate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Fenbendazole sulfone-d3
CAS Number1228182-49-7
PubChem CID71312472
IUPAC Nametrideuteriomethyl N-[6-(benzenesulfonyl)-1H-benzimidazol-2-yl]carbamate
Molecular FormulaC15H13N3O4S
Molecular Weight334.4
XLogP2.3
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity527
SMILES
[2H]C([2H])([2H])OC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H13N3O4S/c1-22-15(19)18-14-16-12-8-7-11(9-13(12)17-14)23(20,21)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)/i1D3
InChIKey
UAFDGCOOJPIAHN-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of Fenbendazole sulfone-d3
CAS: 1228182-49-7
CID: 71312472
Formula: C15H13N3O4S
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data

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